furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone

C20H24N2O3 — CID 156602389

IUPACfuran-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1
InChIInChI=1S/C20H24N2O3/c23-19(17-9-6-14-25-17)22-13-10-20(24,16-7-2-1-3-8-16)18(15-22)21-11-4-5-12-21/h1-3,6-9,14,18,24H,4-5,10-13,15H2
InChIKeyJLCGSVTVUSNFQN-UHFFFAOYSA-N
MW340.42 g/mol
LogP2.48
Rot. Bonds3

About furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone

furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone (PubChem CID 156602389) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Namefuran-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone
PubChem CID156602389
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Namefuran-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone
SMILESO=C(c1ccco1)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1
InChIInChI=1S/C20H24N2O3/c23-19(17-9-6-14-25-17)22-13-10-20(24,16-7-2-1-3-8-16)18(15-22)21-11-4-5-12-21/h1-3,6-9,14,18,24H,4-5,10-13,15H2
InChIKeyJLCGSVTVUSNFQN-UHFFFAOYSA-N
XLogP2.48
TPSA56.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3R,4S)-3-(dimethylamino)-4-hydroxy-4-phenylpiperidin-1-yl]-(furan-2-yl)methanone
CID 87053319
(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-thiophen-3-ylmethanone
CID 156601702
1-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)-2-methoxyethanone
CID 156601705
1-[(3R,4S)-4-hydroxy-3-morpholin-4-yl-4-phenylpiperidin-1-yl]ethanone
CID 169412914
formic acid;[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl]-([1,2,4]triazolo[1,5-a]pyridin-6-yl)methanone
CID 171710004
1-cyclopropyl-3-[(3R,4S)-4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidine-1-carbonyl]-4-methylpyridin-2-one
CID 172661366
furan-2-yl-(3-pyrrolidin-1-ylpyrrolidin-1-yl)methanone
CID 62947254
furan-2-yl-(3-phenylazepan-1-yl)methanone
CID 90608497
(4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinolin-2-yl)-(furan-2-yl)methanone
CID 81097623
(3S)-1-(furan-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917226
azepan-1-yl(furan-2-yl)methanone
CID 5200992
furan-2-yl-[(3S)-3-phenylpiperidin-1-yl]methanone
CID 740547

Frequently Asked Questions

What is the IUPAC name of furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The IUPAC name of furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone (CID 156602389) is furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone.
What is the SMILES notation for furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The canonical SMILES for furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone is O=C(c1ccco1)N1CCC(O)(c2ccccc2)C(N2CCCC2)C1.
What is the InChIKey of furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
The InChIKey is JLCGSVTVUSNFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(17-9-6-14-25-17)22-13-10-20(24,16-7-2-1-3-8-16)18(15-22)21-11-4-5-12-21/h1-3,6-9,14,18,24H,4-5,10-13,15H2.
What are the key properties of furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone?
furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-(4-hydroxy-4-phenyl-3-pyrrolidin-1-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 156602389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).